6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine

C13H13ClFN3 — CID 115474017

IUPAC6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
SMILESCCN(c1cccc(F)c1)c1nc(Cl)ccc1N
InChIInChI=1S/C13H13ClFN3/c1-2-18(10-5-3-4-9(15)8-10)13-11(16)6-7-12(14)17-13/h3-8H,2,16H2,1H3
InChIKeyKKQKSXDJGAXQSS-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.61
Rot. Bonds3

About 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine

6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine (PubChem CID 115474017) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
PubChem CID115474017
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
SMILESCCN(c1cccc(F)c1)c1nc(Cl)ccc1N
InChIInChI=1S/C13H13ClFN3/c1-2-18(10-5-3-4-9(15)8-10)13-11(16)6-7-12(14)17-13/h3-8H,2,16H2,1H3
InChIKeyKKQKSXDJGAXQSS-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine (CID 115474017) is 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine is CCN(c1cccc(F)c1)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine?
The InChIKey is KKQKSXDJGAXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-2-18(10-5-3-4-9(15)8-10)13-11(16)6-7-12(14)17-13/h3-8H,2,16H2,1H3.
What are the key properties of 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine?
6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine has a molecular weight of 265.72 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).